Reshak, Ali Hussain and Chen, Xuean and Auluck, S. and Kamarudin, H. (2012) Linear optical susceptibilities of the oxoborate (Pb3O)(2)(BO3)(2)WO4: theory and experiment. Journal of Materials Science, 47 (15). pp. 5794-5800. ISSN 0022-2461

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Abstract

The optical susceptibilities have been investigated experimentally and theoretically for a newly synthesized oxoborate, (Pb3O)(2)(BO3)(2)WO4. The crystal structure is composed of one-dimensional chains formed by corner-sharing OPb4 tetrahedra. BO3 and WO4 groups are located around the chains to hold them together via Pb-O bonds. The solid-state fluorescence spectrum exhibited a maximum emission peak at around 375.2 nm with excitation light of 280 nm. UV-Vis diffuse reflectance spectra showed a band gap of about 2.9 eV which compares well with our theoretical band gap of about 2.3 eV obtained using the local density approximation and 2.6 eV using the Engel-Vosko's generalized gradient approximation. We have optimized the atomic positions starting from our X-ray diffraction data so as to minimize the forces on each atom. A remarkable finding is that this crystal possesses a weak anisotropy among three components of the frequency-dependent dielectric function and a small positive birefringence. This indicates that the oxoborate, (Pb3O)(2)(BO3)(2)WO4, cannot be used to produce second harmonic generation (SHG) and optical parametric oscillation.

Item Type:	Article
Additional Information:	Copyright for this article belongs to M/s Springer Verlag.
Subjects:	Materials Science
Divisions:	UNSPECIFIED
Depositing User:	Users 27 not found.
Date Deposited:	13 Mar 2020 11:26
Last Modified:	13 Mar 2020 11:26
URI:	http://npl.csircentral.net/id/eprint/3511

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